SCHEMBL12005383

SCHEMBL12005383

Nc1ccc(N2CCCC2CN2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
THRB P10828 2/20 0.41
RECQL P46063 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 4/20 0.39
HRH3 Q9Y5N1 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2879493 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTHRBRECQL
SCHEMBL3658346 0.83 HRH3 (0.48) FFAR1HRH3KCNH2SIGMAR1
SCHEMBL2879248 0.81 HRH3 (0.39) FFAR1HRH3KCNH2SIGMAR1KIT
SCHEMBL7772407 0.80 FFAR1 (0.51) ALDH1A1KDM4EMAPTNPC1TP53
SCHEMBL14662093 0.80 ALK (0.41) FFAR1HRH3KCNH2SIGMAR1KIT
SCHEMBL14661706 0.80 ALK (0.41) FFAR1HRH3KCNH2SIGMAR1KIT
SCHEMBL15850118 0.80 TRIM24 (0.47) ALDH1A1KDM4EFFAR1HRH3KCNH2
SCHEMBL7772414 0.80 TRIM24 (0.47) ALDH1A1KDM4EFFAR1HRH3KCNH2
SCHEMBL7772411 0.80 FFAR1 (0.51) ALDH1A1KDM4EMAPTNPC1TP53
SCHEMBL78460 0.80 FFAR1 (0.43) ALDH1A1KDM4EMAPTTHRBRECQL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885KDM4E 482/4885MAPT 2484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.